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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
- Family 90% : .ZIP | .CSV
- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1331 families. | |||||
1 | 3O3N | - | IRC | C27 H46 N7 O18 P3 S | CC(C)C[C@H.... |
2 | 3O3O | - | 2RH | C6 H12 O3 | CC(C)C[C@H.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 3O3N | - | IRC | C27 H46 N7 O18 P3 S | CC(C)C[C@H.... |
2 | 3O3O | - | 2RH | C6 H12 O3 | CC(C)C[C@H.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | IRC | 1 | 1 |
2 | MCA | 0.890625 | 0.977273 |
3 | CO6 | 0.88189 | 0.988506 |
4 | YXS | 0.854962 | 0.895833 |
5 | YXR | 0.854962 | 0.895833 |
6 | ACO | 0.850394 | 0.977273 |
7 | IVC | 0.839695 | 1 |
8 | 3KK | 0.837209 | 0.988506 |
9 | COS | 0.834646 | 0.965909 |
10 | CAO | 0.834646 | 0.955056 |
11 | OXK | 0.830769 | 0.988506 |
12 | 3HC | 0.825758 | 1 |
13 | 1VU | 0.824427 | 0.977273 |
14 | 2MC | 0.818182 | 0.945055 |
15 | 1HE | 0.81203 | 0.966292 |
16 | BCO | 0.81203 | 0.988506 |
17 | A1S | 0.81203 | 0.965909 |
18 | MLC | 0.81203 | 0.988506 |
19 | FYN | 0.80916 | 0.988372 |
20 | 1GZ | 0.807407 | 0.977273 |
21 | CAA | 0.80597 | 1 |
22 | COO | 0.80597 | 0.988506 |
23 | SOP | 0.80303 | 0.965909 |
24 | COK | 0.80303 | 0.965909 |
25 | MC4 | 0.8 | 0.934783 |
26 | SCA | 0.8 | 0.988506 |
27 | CMC | 0.796992 | 0.965909 |
28 | 0T1 | 0.796875 | 0.965517 |
29 | COA | 0.796875 | 0.988372 |
30 | DCA | 0.795276 | 0.943182 |
31 | MRR | 0.794326 | 0.966292 |
32 | MRS | 0.794326 | 0.966292 |
33 | KFV | 0.794118 | 0.905263 |
34 | COW | 0.794118 | 0.977273 |
35 | BYC | 0.794118 | 0.988506 |
36 | HGG | 0.794118 | 0.988506 |
37 | 30N | 0.792308 | 0.904255 |
38 | FAQ | 0.788321 | 0.988506 |
39 | BCA | 0.788321 | 0.977273 |
40 | 2CP | 0.786765 | 0.955056 |
41 | HXC | 0.782609 | 0.966292 |
42 | GRA | 0.782609 | 0.988506 |
43 | ETB | 0.78125 | 0.910112 |
44 | AMX | 0.778626 | 0.976744 |
45 | TGC | 0.776978 | 0.977273 |
46 | CMX | 0.772727 | 0.965517 |
47 | SCO | 0.772727 | 0.965517 |
48 | 1CZ | 0.771429 | 0.977273 |
49 | CO8 | 0.771429 | 0.966292 |
50 | 2NE | 0.771429 | 0.966292 |
51 | COF | 0.768116 | 0.944444 |
52 | 2KQ | 0.768116 | 0.966292 |
53 | 3CP | 0.768116 | 0.965909 |
54 | FAM | 0.766917 | 0.94382 |
55 | FCX | 0.766917 | 0.933333 |
56 | DCC | 0.765957 | 0.966292 |
57 | UCC | 0.765957 | 0.966292 |
58 | ST9 | 0.765957 | 0.966292 |
59 | MFK | 0.765957 | 0.966292 |
60 | MYA | 0.765957 | 0.966292 |
61 | 5F9 | 0.765957 | 0.966292 |
62 | MCD | 0.762963 | 0.94382 |
63 | KGP | 0.762963 | 0.895833 |
64 | YZS | 0.762963 | 0.895833 |
65 | 4CA | 0.76259 | 0.955056 |
66 | HAX | 0.761194 | 0.94382 |
67 | WCA | 0.755245 | 0.966292 |
68 | CS8 | 0.755245 | 0.955556 |
69 | LCV | 0.753623 | 0.886598 |
70 | SO5 | 0.753623 | 0.886598 |
71 | 0FQ | 0.753521 | 0.965909 |
72 | 4CO | 0.753521 | 0.955056 |
73 | SCD | 0.751825 | 0.965517 |
74 | YNC | 0.751724 | 0.977273 |
75 | 4KX | 0.75 | 0.955556 |
76 | HDC | 0.75 | 0.966292 |
77 | CA6 | 0.75 | 0.876289 |
78 | 01A | 0.748252 | 0.923913 |
79 | CIC | 0.746479 | 0.965909 |
80 | NMX | 0.744526 | 0.893617 |
81 | J5H | 0.739726 | 0.988506 |
82 | DAK | 0.739726 | 0.955556 |
83 | CAJ | 0.73913 | 0.94382 |
84 | 0ET | 0.736111 | 0.944444 |
85 | 8Z2 | 0.734694 | 0.955556 |
86 | KGJ | 0.733813 | 0.884211 |
87 | HFQ | 0.732877 | 0.944444 |
88 | 1CV | 0.731034 | 0.988506 |
89 | YE1 | 0.728571 | 0.954545 |
90 | F8G | 0.728477 | 0.924731 |
91 | NHM | 0.726027 | 0.944444 |
92 | NHW | 0.726027 | 0.944444 |
93 | UOQ | 0.726027 | 0.944444 |
94 | CA8 | 0.71831 | 0.895833 |
95 | KGA | 0.71831 | 0.875 |
96 | 1HA | 0.715232 | 0.966292 |
97 | NHQ | 0.701987 | 0.977012 |
98 | CCQ | 0.69863 | 0.945055 |
99 | S0N | 0.69863 | 0.94382 |
100 | 7L1 | 0.695652 | 0.977273 |
101 | 01K | 0.688312 | 0.965909 |
102 | COT | 0.683871 | 0.965909 |
103 | UCA | 0.68125 | 0.966292 |
104 | CA3 | 0.675159 | 0.965909 |
105 | CO7 | 0.668966 | 0.988506 |
106 | N9V | 0.66443 | 0.933333 |
107 | CA5 | 0.654321 | 0.923913 |
108 | RMW | 0.654321 | 0.966292 |
109 | 4BN | 0.651163 | 0.924731 |
110 | 5TW | 0.651163 | 0.924731 |
111 | 93P | 0.650307 | 0.955056 |
112 | COD | 0.647059 | 0.976744 |
113 | 93M | 0.630952 | 0.955056 |
114 | JBT | 0.614525 | 0.905263 |
115 | BUA COA | 0.613333 | 0.954545 |
116 | OXT | 0.611429 | 0.924731 |
117 | 6NA COA | 0.593548 | 0.933333 |
118 | COA FLC | 0.593103 | 0.954023 |
119 | HMG | 0.589744 | 0.954545 |
120 | DAO COA | 0.582278 | 0.933333 |
121 | MYR COA | 0.582278 | 0.933333 |
122 | X90 COA | 0.582278 | 0.933333 |
123 | PLM COA | 0.582278 | 0.933333 |
124 | DCR COA | 0.582278 | 0.933333 |
125 | DKA COA | 0.582278 | 0.933333 |
126 | EO3 COA | 0.582278 | 0.933333 |
127 | BSJ | 0.573034 | 0.934066 |
128 | RFC | 0.558282 | 0.966292 |
129 | SFC | 0.558282 | 0.966292 |
130 | ASP ASP ASP ILE NH2 CMC | 0.537572 | 0.922222 |
131 | PAP | 0.536 | 0.802326 |
132 | PPS | 0.5 | 0.744681 |
133 | 0WD | 0.493333 | 0.78022 |
134 | MET VAL ASN ALA CMC | 0.491979 | 0.922222 |
135 | A3P | 0.488 | 0.790698 |
136 | ACE SER ASP ALY THR NH2 COA | 0.486772 | 0.922222 |
137 | ACE MET LEU GLY PRO NH2 COA | 0.474747 | 0.922222 |
138 | 5AD NJS | 0.455556 | 0.923913 |
139 | PTJ | 0.433566 | 0.862069 |
140 | PUA | 0.43125 | 0.811111 |
141 | 3AM | 0.428571 | 0.77907 |
142 | HQG | 0.42446 | 0.804598 |
143 | 48N | 0.423841 | 0.8 |
144 | A22 | 0.421429 | 0.804598 |
145 | UBG | 0.420455 | 0.835165 |
146 | 9BG | 0.420382 | 0.78022 |
147 | PAJ | 0.415493 | 0.873563 |
148 | A2D | 0.415385 | 0.793103 |
149 | 3OD | 0.413793 | 0.816092 |
150 | ATR | 0.411765 | 0.790698 |
151 | AGS | 0.411765 | 0.818182 |
152 | QA7 | 0.411348 | 0.83908 |
153 | ADP | 0.406015 | 0.813953 |
154 | ADQ | 0.405594 | 0.795455 |
155 | A2R | 0.404255 | 0.804598 |
156 | 8LE | 0.402878 | 0.83908 |
157 | 8LQ | 0.401408 | 0.827586 |
158 | M33 | 0.4 | 0.804598 |
159 | OAD | 0.4 | 0.816092 |
160 | NA7 | 0.4 | 0.848837 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 3o3o.bio1) has 29 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |